SCHEMBL11768655

SCHEMBL11768655

O/N=C(\c1ccccc1)c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.58
KDM4E B2RXH2 6/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 2/20 0.54
HPGD P15428 2/20 0.54
MEN1 O00255 1/20 0.54
ALOX12 P18054 1/20 0.54
LMNA P02545 2/20 0.50
NAPRT Q6XQN6 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM6B O15054 1/20 0.50
TET3 O43151 1/20 0.50
KDM4A O75164 1/20 0.50
KDM4B O94953 1/20 0.50
KDM5A P29375 1/20 0.50
KDM5C P41229 1/20 0.50
KDM4D Q6B0I6 1/20 0.50
TET2 Q6N021 1/20 0.50
TET1 Q8NFU7 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29498791 1.00 AGTR1 (0.58) AGTR1KDM4EKMT2AGAAHPGD
SCHEMBL322444 1.00 AGTR1 (0.58) AGTR1KDM4EKMT2AGAAHPGD
SCHEMBL322443 1.00 AGTR1 (0.58) AGTR1KDM4EKMT2AGAAHPGD
SCHEMBL17842343 0.89 KDM4E (0.52) AGTR1KDM4EKMT2AGAAHPGD
SCHEMBL17842347 0.89 KDM4E (0.52) AGTR1KDM4EKMT2AGAAHPGD
SCHEMBL1365894 0.87 KDM4E (0.63) AGTR1KDM4EKMT2AGAAHPGD
SCHEMBL23366578 0.85 KDM4E (0.49) AGTR1KDM4EKMT2AGAAHPGD
SCHEMBL20385378 0.85 KMT2A (0.60) AGTR1KDM4EKMT2AGAAHPGD
SCHEMBL17842214 0.85 TLR7 (0.55) AGTR1KDM4EKMT2AGAAHPGD
SCHEMBL17842212 0.85 TLR7 (0.55) AGTR1KDM4EKMT2AGAAHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4013691-A PROCESS FOR THE SIMULTANEOUS MANUFACTURE OF EPSILON-CAPROLACTONES AND CARBOXYLIC ACIDS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-03-22 US disclosed